Is there a way in gather_templates to use an input file for query, like a pre-made list of PDBs?

choderalab / ensembler

Automated omics-scale protein modeling and simulation setup.

http://ensembler.readthedocs.io/

GNU General Public License v2.0

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Open sonyahanson opened 9 years ago

sonyahanson commented 9 years ago

Could be useful to have this be a file one makes and can keep around instead of having to do:

ensembler gather_templates --gather_from PDB --query 1IR3,1K3A,1Y57,2F4J,3DQW,4BKJ,3ZOS,2OIQ,1OPJ,2SRC,2G2I,2H8H,3U4W,4GT5,1LUF,1IRK

Maybe this is already a thing...

jchodera commented 9 years ago

Could this be specified in the YAML input file?